8HYL
 
 | | Crystal structure of DO1 Fv-clasp fragment | | 分子名称: | VH-SARAH, VL-SARAH | | 著者 | Anan, Y, Lu, P, Nagata, K, Itakura, M, Uchida, K. | | 登録日 | 2023-01-06 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Molecular and structural basis of anti-DNA antibody specificity for pyrrolated proteins.
Commun Biol, 7, 2024
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6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | 分子名称: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | 登録日 | 2018-05-06 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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4QYY
 | | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State | | 分子名称: | (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. | | 登録日 | 2014-07-26 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
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5NKX
 | | HRSV M2-1 core domain, P3221 crystal form | | 分子名称: | M2-1 | | 著者 | Almeida Hernandez, Y, Josts, I, Molina, I.G, de Pray-Gay, G, Tidow, H. | | 登録日 | 2017-04-03 | | 公開日 | 2018-01-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.00008678 Å) | | 主引用文献 | Structure and stability of the Human respiratory syncytial virus M2-1RNA-binding core domain reveals a compact and cooperative folding unit.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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5NOH
 | | HRSV M2-1 core domain | | 分子名称: | Transcription elongation factor M2-1 | | 著者 | Josts, I, Almeida Hernandez, Y, Molina, I.G, de Prat-Gay, G, Tidow, H. | | 登録日 | 2017-04-12 | | 公開日 | 2018-01-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure and stability of the Human respiratory syncytial virus M2-1RNA-binding core domain reveals a compact and cooperative folding unit.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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3VUP
 | | Beta-1,4-mannanase from the common sea hare Aplysia kurodai | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-1,4-mannanase, SULFATE ION | | 著者 | Mizutani, K, Tsuchiya, S, Toyoda, M, Nanbu, Y, Tominaga, K, Yuasa, K, Takahashi, N, Tsuji, A, Mikami, B. | | 登録日 | 2012-07-04 | | 公開日 | 2012-10-17 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Structure of beta-1,4-mannanase from the common sea hare Aplysia kurodai at 1.05 A resolution.
Acta Crystallogr.,Sect.F, 68, 2012
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6CPW
 | | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | | 分子名称: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Hruza, A, Hruza, A. | | 登録日 | 2018-03-14 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
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7R65
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4P8O
 | | S. aureus gyrase bound to an aminobenzimidazole urea inhibitor | | 分子名称: | 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea, DNA gyrase subunit B | | 著者 | Jacobs, M.D. | | 登録日 | 2014-03-31 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.
J.Med.Chem., 57, 2014
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6FXN
 | | Crystal structure of human BAFF in complex with Fab fragment of anti-BAFF antibody belimumab | | 分子名称: | Tumor necrosis factor ligand superfamily member 13B, belimumab heavy chain, belimumab light chain | | 著者 | Lammens, A, Maskos, K, Willen, L, Jiang, X, Schneider, P. | | 登録日 | 2018-03-09 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors.
Nat Commun, 9, 2018
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4YD0
 | | Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor | | 分子名称: | 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine, Polymerase basic protein 2 | | 著者 | Jacobs, M.D. | | 登録日 | 2015-02-20 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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8OK2
 | | Bipartite interaction of TOPBP1 with the GINS complex | | 分子名称: | DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, DNA replication complex GINS protein PSF3, ... | | 著者 | Day, M, Oliver, A.W, Pearl, L.H. | | 登録日 | 2023-03-26 | | 公開日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | TopBP1 utilises a bipartite GINS binding mode to support genome replication.
Nat Commun, 15, 2024
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8OWU
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8OWS
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5BUH
 | | Influenza PB2 bound to a hydroxymethyl azaindole inhibitor | | 分子名称: | N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2 | | 著者 | Jacobs, M.D. | | 登録日 | 2015-06-03 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017
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7N50
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7N51
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7N52
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5F79
 | | Influenza PB2 bound to an azaindole inhibitor | | 分子名称: | N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2 | | 著者 | Jacobs, M.D. | | 登録日 | 2015-12-07 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017
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5EDL
 | | Crystal structure of an S-component of ECF transporter | | 分子名称: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Putative HMP/thiamine permease protein YkoE, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | | 著者 | Josts, I, Tidow, H. | | 登録日 | 2015-10-21 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal Structure of a Group I Energy Coupling Factor Vitamin Transporter S Component in Complex with Its Cognate Substrate.
Cell Chem Biol, 23, 2016
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